(2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one

C19H32O6Si — CID 11132790

IUPAC(2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one
SMILESC[Si](C)(C)O[C@@H]1C/C=C\C[C@H](O)[C@@H]([C@@H]2COC3(CCCCC3)O2)OC1=O
InChIInChI=1S/C19H32O6Si/c1-26(2,3)25-15-10-6-5-9-14(20)17(23-18(15)21)16-13-22-19(24-16)11-7-4-8-12-19/h5-6,14-17,20H,4,7-13H2,1-3H3/b6-5-/t14-,15+,16-,17-/m0/s1
InChIKeyWKPSNGJJLIMJLQ-ZSQCAHALSA-N
MW384.55 g/mol
LogP2.90
Rot. Bonds3

About (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one

(2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one (PubChem CID 11132790) has the molecular formula C19H32O6Si and a molecular weight of 384.55 g/mol. Its IUPAC name is (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one.

Molecular Properties

Compound Name(2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one
PubChem CID11132790
Molecular FormulaC19H32O6Si
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name(2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one
SMILESC[Si](C)(C)O[C@@H]1C/C=C\C[C@H](O)[C@@H]([C@@H]2COC3(CCCCC3)O2)OC1=O
InChIInChI=1S/C19H32O6Si/c1-26(2,3)25-15-10-6-5-9-14(20)17(23-18(15)21)16-13-22-19(24-16)11-7-4-8-12-19/h5-6,14-17,20H,4,7-13H2,1-3H3/b6-5-/t14-,15+,16-,17-/m0/s1
InChIKeyWKPSNGJJLIMJLQ-ZSQCAHALSA-N
XLogP2.90
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one with MolForge

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Related Compounds

(2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3,8-dihydroxy-3,4,7,8-tetrahydro-2H-oxonin-9-one
CID 101161077
(2S,3R,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3,8-dihydroxy-3,4,7,8-tetrahydro-2H-oxonin-9-one
CID 101161079
(2S,3R,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one
CID 101161080

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one?
The IUPAC name of (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one (CID 11132790) is (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one.
What is the SMILES notation for (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one?
The canonical SMILES for (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one is C[Si](C)(C)O[C@@H]1C/C=C\C[C@H](O)[C@@H]([C@@H]2COC3(CCCCC3)O2)OC1=O.
What is the InChIKey of (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one?
The InChIKey is WKPSNGJJLIMJLQ-ZSQCAHALSA-N. The full InChI is InChI=1S/C19H32O6Si/c1-26(2,3)25-15-10-6-5-9-14(20)17(23-18(15)21)16-13-22-19(24-16)11-7-4-8-12-19/h5-6,14-17,20H,4,7-13H2,1-3H3/b6-5-/t14-,15+,16-,17-/m0/s1.
What are the key properties of (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one?
(2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one has a molecular weight of 384.55 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5Z,8R)-2-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-3-hydroxy-8-trimethylsilyloxy-3,4,7,8-tetrahydro-2H-oxonin-9-one is sourced from PubChem (CID 11132790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).